SCHEMBL6408026

SCHEMBL6408026

CC(C)Cc1cc(CNC(=O)Cc2ccccc2)on1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6409950 0.84 RAB9A (0.50) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL6410130 0.82 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2POLBATM
SCHEMBL6407566 0.82 RAB9A (0.46) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL18031837 0.79 POLB (0.50) NPC1RAB9ASMN1; SMN2MAPK1POLB
SCHEMBL16907558 0.78 RAB9A (0.45) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL6409331 0.77 ALDH1A1 (0.57) SMN1; SMN2POLBALDH1A1GAAMAPT
SCHEMBL6404311 0.75 NPC1 (0.55) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL6409358 0.75 RAB9A (0.53) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL6410118 0.74 HPGD (0.54) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL5297276 0.74 VHL (0.42) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide SDS BIOTECH K.K. (JP) 2005-08-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide AHR, ERG28, CYP1A2 NPC1 1915/4885RAB9A 4044/4885SMN1; SMN2 4458/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.